Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.4149   -0.0455    1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4028   -0.9413    0.7305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -0.5396    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928    0.7687    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    1.1350   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765    0.1761   -0.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -1.1288   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -1.4923   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577    0.5331   -1.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527    1.0376   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3575    0.1909    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035   -1.0705    0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919   -0.6025    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116    0.7939    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428    0.2992    2.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089    1.5297    0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    2.1486   -0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6052   -1.9710   -0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300   -2.5385   -0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -0.3620   -1.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    1.2857   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5685    2.0287   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6256    1.3148   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0906    0.6986    1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -1.7087    0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7548   -1.5398    1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers